1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene

C29H25Cl — CID 145174310

IUPAC1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene
SMILESCC/C=C(\C)c1cc(Cl)cc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C29H25Cl/c1-3-8-21(2)27-18-28(20-29(30)19-27)24-15-13-23(14-16-24)26-12-7-11-25(17-26)22-9-5-4-6-10-22/h4-20H,3H2,1-2H3/b21-8+
InChIKeyITUVJQFFSMDTBX-ODCIPOBUSA-N
MW408.97 g/mol
LogP9.15
Rot. Bonds5

About 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene

1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene (PubChem CID 145174310) has the molecular formula C29H25Cl and a molecular weight of 408.97 g/mol. Its IUPAC name is 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene
PubChem CID145174310
Molecular FormulaC29H25Cl
Molecular Weight408.97 g/mol
Exact Mass408.16
IUPAC Name1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene
SMILESCC/C=C(\C)c1cc(Cl)cc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C29H25Cl/c1-3-8-21(2)27-18-28(20-29(30)19-27)24-15-13-23(14-16-24)26-12-7-11-25(17-26)22-9-5-4-6-10-22/h4-20H,3H2,1-2H3/b21-8+
InChIKeyITUVJQFFSMDTBX-ODCIPOBUSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
CID 145174551
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 130368625
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene (CID 145174310) is 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene is CC/C=C(\C)c1cc(Cl)cc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c1.
What is the InChIKey of 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene?
The InChIKey is ITUVJQFFSMDTBX-ODCIPOBUSA-N. The full InChI is InChI=1S/C29H25Cl/c1-3-8-21(2)27-18-28(20-29(30)19-27)24-15-13-23(14-16-24)26-12-7-11-25(17-26)22-9-5-4-6-10-22/h4-20H,3H2,1-2H3/b21-8+.
What are the key properties of 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene?
1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene has a molecular weight of 408.97 g/mol, XLogP of 9.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 145174310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).